#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mnk s LEU 2 N 0.00 4.29 0.80 0.99 1.02 -1.26 -5.10 118.68 119.43 1mnk s LEU 2 Ca 0.00 0.22 -0.10 0.00 0.02 0.00 0.00 54.13 54.27 1mnk s LEU 2 Cb 0.00 -2.98 0.11 0.00 0.02 0.00 0.00 46.19 43.34 1mnk s LEU 2 CO 0.00 -0.01 1.14 -0.94 0.02 0.00 0.00 176.35 176.56 1mnk s SER 3 N -3.39 4.18 0.25 2.29 1.04 -1.26 -4.87 113.70 111.94 1mnk s SER 3 Ca 0.36 0.36 -0.06 0.00 0.48 0.00 0.00 55.95 57.08 1mnk s SER 3 Cb -0.11 -0.76 0.26 0.00 0.10 0.00 0.00 66.02 65.52 1mnk s SER 3 CO 0.29 -2.03 1.92 0.44 0.98 0.00 0.00 173.24 174.84 1mnk h ASP 4 N -0.99 1.12 -0.91 7.02 3.32 -1.99 -1.04 116.42 122.94 1mnk h ASP 4 Ca -0.44 -0.03 0.06 0.00 0.02 0.00 0.00 57.03 56.65 1mnk h ASP 4 Cb 1.29 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 40.50 1mnk h ASP 4 CO 0.52 0.80 0.58 1.23 -1.72 0.00 0.00 179.24 180.65 1mnk h GLY 5 N 1.32 1.38 1.02 2.75 0.00 -2.00 -0.89 103.07 106.65 1mnk h GLY 5 Ca 0.36 -0.42 -0.20 0.00 0.00 0.00 0.00 47.33 47.07 1mnk h GLY 5 CO -0.08 0.30 -0.71 0.83 0.00 0.00 0.00 176.54 176.87 1mnk h GLU 6 N 1.06 0.63 -0.98 4.80 5.08 -1.58 -2.85 114.58 120.74 1mnk h GLU 6 Ca 0.39 -0.57 0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1mnk h GLU 6 Cb 0.15 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.47 1mnk h GLU 6 CO -0.17 1.18 0.63 -1.49 -1.00 0.00 0.00 179.01 178.17 1mnk h TRP 7 N 0.28 1.17 -0.30 4.33 -0.00 -1.10 -1.15 115.95 119.17 1mnk h TRP 7 Ca -0.07 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 58.84 1mnk h TRP 7 Cb 1.37 -0.38 -0.01 0.00 -0.00 0.00 0.00 29.16 30.13 1mnk h TRP 7 CO 0.11 0.60 0.15 0.37 -0.00 0.00 0.00 178.44 179.67 1mnk h GLN 8 N 1.15 0.44 -0.75 0.49 5.75 -1.07 -0.82 115.11 120.29 1mnk h GLN 8 Ca 0.42 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.80 1mnk h GLN 8 Cb 0.17 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 1mnk h GLN 8 CO -0.17 0.41 0.23 -0.07 -2.65 0.00 0.00 178.83 176.58 1mnk h LEU 9 N 0.36 1.09 0.01 -2.39 3.38 -1.16 -0.04 115.31 116.55 1mnk h LEU 9 Ca 0.10 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.89 1mnk h LEU 9 Cb 0.11 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1mnk h LEU 9 CO -0.01 1.01 -0.20 0.58 0.09 0.00 0.00 178.44 179.91 1mnk h VAL 10 N 1.12 0.53 -0.11 1.22 2.07 -0.90 -2.30 116.25 117.87 1mnk h VAL 10 Ca 0.24 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.68 1mnk h VAL 10 Cb 0.31 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1mnk h VAL 10 CO -0.01 0.00 -0.28 -0.07 0.02 0.00 0.00 177.57 177.23 1mnk h LEU 11 N -0.32 0.20 -0.48 2.57 3.38 -1.04 -0.22 115.31 119.40 1mnk h LEU 11 Ca 0.06 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1mnk h LEU 11 Cb 0.39 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1mnk h LEU 11 CO -0.18 0.48 -0.30 0.78 0.09 0.00 0.00 178.44 179.31 1mnk h ASN 12 N 0.18 0.98 -0.23 -0.43 2.35 -0.65 -2.71 115.58 115.07 1mnk h ASN 12 Ca 0.03 -0.41 -0.03 0.00 -0.55 0.00 0.00 56.30 55.34 1mnk h ASN 12 Cb 0.59 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1mnk h ASN 12 CO 0.04 1.20 0.01 0.58 -1.65 0.00 0.00 177.43 177.61 1mnk h VAL 13 N 0.79 1.25 -0.71 2.81 2.07 -1.06 -3.03 116.25 118.36 1mnk h VAL 13 Ca 0.09 -0.84 0.14 0.00 0.82 0.00 0.00 66.70 66.90 1mnk h VAL 13 Cb 0.88 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.96 1mnk h VAL 13 CO 0.08 0.26 0.47 -0.25 0.02 0.00 0.00 177.57 178.16 1mnk h TRP 14 N 0.17 0.45 -0.98 1.57 2.91 -0.97 0.79 115.95 119.89 1mnk h TRP 14 Ca 0.07 0.01 0.11 0.00 1.13 0.00 0.00 58.89 60.21 1mnk h TRP 14 Cb 0.37 -0.14 -0.08 0.00 -0.51 0.00 0.00 29.16 28.80 1mnk h TRP 14 CO 0.03 0.18 0.62 0.78 -1.03 0.00 0.00 178.44 179.02 1mnk h GLY 15 N 0.39 1.53 1.51 2.65 0.00 -1.35 0.13 103.07 107.94 1mnk h GLY 15 Ca 0.34 -0.41 -0.12 0.00 0.00 0.00 0.00 47.33 47.14 1mnk h GLY 15 CO -0.10 0.19 -0.32 0.50 0.00 0.00 0.00 176.54 176.80 1mnk h LYS 16 N 0.98 0.55 -0.73 4.80 6.56 -0.96 -2.94 116.57 124.83 1mnk h LYS 16 Ca 0.47 -0.25 -0.05 0.00 -1.06 0.00 0.00 60.65 59.76 1mnk h LYS 16 Cb 0.45 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 32.07 1mnk h LYS 16 CO -0.23 0.81 0.25 0.28 -2.06 0.00 0.00 179.45 178.50 1mnk h VAL 17 N 0.47 1.26 0.00 0.50 2.07 -0.71 -3.10 116.25 116.74 1mnk h VAL 17 Ca 0.06 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 1mnk h VAL 17 Cb 0.79 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1mnk h VAL 17 CO 0.06 0.34 -0.15 -0.33 0.02 0.00 0.00 177.57 177.52 1mnk h GLU 18 N 1.08 0.00 0.00 1.57 5.08 -1.01 -0.53 114.58 120.76 1mnk h GLU 18 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1mnk h GLU 18 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1mnk h GLU 18 CO -0.01 0.15 0.00 0.00 -1.00 0.00 0.00 179.01 178.14 1mnk n ALA 19 N -2.26 1.91 -2.72 3.43 0.00 -1.13 -4.18 120.51 115.57 1mnk n ALA 19 Ca -0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 53.44 53.29 1mnk n ALA 19 Cb 0.29 -1.30 0.06 0.00 0.00 0.00 0.00 19.45 18.49 1mnk n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1mnk n ASP 20 N -1.40 -2.33 -0.15 0.00 2.03 -0.35 -5.04 116.55 109.31 1mnk n ASP 20 Ca 0.07 -2.66 -0.11 0.00 0.52 0.00 0.00 54.79 52.60 1mnk n ASP 20 Cb 0.18 1.40 -0.01 0.00 -0.72 0.00 0.00 41.12 41.97 1mnk n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1mnk h VAL 21 N 2.53 1.27 -0.26 5.18 2.07 -1.33 -2.52 116.25 123.19 1mnk h VAL 21 Ca -0.16 -1.30 -0.14 0.00 0.82 0.00 0.00 66.70 65.92 1mnk h VAL 21 Cb 1.10 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1mnk h VAL 21 CO 0.11 0.44 -0.42 0.00 0.02 0.00 0.00 177.57 177.72 1mnk h ALA 22 N 0.85 0.77 -0.25 1.67 0.00 -1.90 -0.05 119.26 120.34 1mnk h ALA 22 Ca 0.10 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 1mnk h ALA 22 Cb 0.72 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1mnk h ALA 22 CO 0.05 0.66 -0.15 0.78 0.00 0.00 0.00 179.25 180.59 1mnk h GLY 23 N 1.00 0.60 0.94 0.00 0.00 -1.92 -2.63 103.07 101.06 1mnk h GLY 23 Ca 0.04 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 1mnk h GLY 23 CO 0.09 0.51 0.14 0.45 0.00 0.00 0.00 176.54 177.72 1mnk h HIS 24 N 0.27 0.67 -0.78 5.60 3.86 -1.38 -2.77 115.15 120.63 1mnk h HIS 24 Ca 0.05 -0.06 0.11 0.00 -1.16 0.00 0.00 60.37 59.31 1mnk h HIS 24 Cb 0.67 -0.19 -0.08 0.00 1.06 0.00 0.00 27.41 28.87 1mnk h HIS 24 CO 0.07 0.61 0.39 0.78 0.86 0.00 0.00 177.93 180.64 1mnk h GLY 25 N 0.53 1.20 0.73 2.45 0.00 -0.84 -1.79 103.07 105.36 1mnk h GLY 25 Ca 0.14 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.16 1mnk h GLY 25 CO -0.01 0.03 -0.15 -1.61 0.00 0.00 0.00 176.54 174.80 1mnk h GLN 26 N 0.63 0.34 -0.89 4.80 4.15 -1.52 -1.99 115.11 120.64 1mnk h GLN 26 Ca 0.40 -0.19 -0.02 0.00 0.77 0.00 0.00 58.65 59.61 1mnk h GLN 26 Cb 0.47 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.13 1mnk h GLN 26 CO -0.30 0.75 0.48 0.93 -1.93 0.00 0.00 178.83 178.75 1mnk h GLU 27 N -0.04 1.25 -0.14 1.69 4.39 -1.32 0.90 114.58 121.30 1mnk h GLU 27 Ca 0.02 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 1mnk h GLU 27 Cb 0.69 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1mnk h GLU 27 CO 0.04 0.93 0.07 0.28 -1.16 0.00 0.00 179.01 179.17 1mnk h VAL 28 N 1.25 1.11 -0.29 3.13 2.07 -1.23 -0.67 116.25 121.63 1mnk h VAL 28 Ca 0.31 -0.31 -0.16 0.00 0.82 0.00 0.00 66.70 67.37 1mnk h VAL 28 Cb 0.05 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1mnk h VAL 28 CO -0.05 0.10 -0.43 -0.07 0.02 0.00 0.00 177.57 177.14 1mnk h LEU 29 N 0.12 0.87 -1.02 2.57 3.38 -1.11 -1.22 115.31 118.90 1mnk h LEU 29 Ca 0.05 -0.51 -0.05 0.00 0.09 0.00 0.00 57.88 57.46 1mnk h LEU 29 Cb 0.10 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1mnk h LEU 29 CO -0.01 1.22 0.16 0.40 0.09 0.00 0.00 178.44 180.30 1mnk h ILE 30 N 0.56 1.23 -0.23 1.22 2.04 -0.72 -1.58 117.51 120.03 1mnk h ILE 30 Ca 0.03 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 1mnk h ILE 30 Cb 1.03 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1mnk h ILE 30 CO 0.10 0.30 0.13 0.03 0.00 0.00 0.00 178.15 178.71 1mnk h ARG 31 N 0.84 0.32 -0.72 2.37 2.47 -0.93 -1.98 114.38 116.75 1mnk h ARG 31 Ca 0.19 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.84 1mnk h ARG 31 Cb 0.27 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.50 1mnk h ARG 31 CO -0.01 0.29 0.33 1.25 0.56 0.00 0.00 179.97 182.39 1mnk h LEU 32 N 0.27 0.96 -0.39 3.04 5.85 -1.02 -1.21 115.31 122.80 1mnk h LEU 32 Ca 0.08 -0.14 -0.19 0.00 0.84 0.00 0.00 57.88 58.47 1mnk h LEU 32 Cb 0.06 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 1mnk h LEU 32 CO -0.01 0.83 -0.71 -0.26 -0.34 0.00 0.00 178.44 177.95 1mnk h PHE 33 N 1.01 0.63 -0.23 1.25 0.04 -1.17 0.13 116.94 118.60 1mnk h PHE 33 Ca 0.25 -0.27 -0.10 0.00 2.80 0.00 0.00 57.97 60.65 1mnk h PHE 33 Cb 0.14 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 38.19 1mnk h PHE 33 CO 0.01 1.03 -0.24 0.87 -0.60 0.00 0.00 178.31 179.38 1mnk h LYS 34 N 0.33 0.57 0.00 1.51 6.56 -1.36 -3.01 116.57 121.16 1mnk h LYS 34 Ca -0.03 -0.30 -0.14 0.00 -1.06 0.00 0.00 60.65 59.12 1mnk h LYS 34 Cb 1.29 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.94 1mnk h LYS 34 CO 0.13 0.90 -0.83 0.78 -2.06 0.00 0.00 179.45 178.36 1mnk h GLY 35 N 0.26 0.00 -5.78 3.86 0.00 -1.13 -3.41 103.07 96.88 1mnk h GLY 35 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.95 1mnk h GLY 35 CO 0.06 0.00 -0.79 1.42 0.00 0.00 0.00 176.54 177.23 1mnk n HIS 36 N -3.13 -2.07 0.33 5.60 8.25 0.02 -5.00 115.22 119.21 1mnk n HIS 36 Ca -0.02 -2.54 0.21 0.00 -0.26 0.00 0.00 57.72 55.11 1mnk n HIS 36 Cb 0.79 0.73 1.13 0.00 1.12 0.00 0.00 29.99 33.76 1mnk n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1mnk h PRO 37 N 5.20 0.00 0.00 -0.41 0.11 -1.70 0.12 132.00 135.32 1mnk h PRO 37 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1mnk h PRO 37 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1mnk h PRO 37 CO 0.25 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.19 1mnk n GLU 38 N -3.23 0.16 0.20 1.05 0.00 -1.26 -2.41 120.64 115.15 1mnk n GLU 38 Ca -0.03 0.31 0.08 0.00 0.00 0.00 0.00 57.16 57.51 1mnk n GLU 38 Cb 0.09 -1.75 0.32 0.00 0.00 0.00 0.00 31.44 30.09 1mnk n GLU 38 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 1mnk h THR 39 N 0.00 0.64 0.00 3.84 1.35 -1.08 -3.19 112.91 114.48 1mnk h THR 39 Ca 0.00 -1.45 -0.01 0.00 -0.55 0.00 0.00 66.41 64.40 1mnk h THR 39 Cb 0.44 1.97 -0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1mnk h THR 39 CO 0.00 0.30 -0.05 0.25 -0.25 0.00 0.00 175.52 175.77 1mnk h LEU 40 N 0.00 0.00 -0.74 3.87 5.85 -1.63 -2.24 115.31 120.41 1mnk h LEU 40 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1mnk h LEU 40 Cb 0.94 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1mnk h LEU 40 CO 0.04 0.05 0.00 -0.62 -0.34 0.00 0.00 178.44 177.57 1mnk n GLU 41 N -3.90 0.17 0.00 1.25 -0.58 -1.20 -2.18 120.64 114.19 1mnk n GLU 41 Ca -0.03 0.44 0.13 0.00 -0.42 0.00 0.00 57.16 57.29 1mnk n GLU 41 Cb 0.14 -1.85 0.44 0.00 -0.57 0.00 0.00 31.44 29.60 1mnk n GLU 41 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1mnk n LYS 42 N -2.17 0.87 -3.57 3.49 4.76 -0.84 -4.55 118.16 116.15 1mnk n LYS 42 Ca 0.02 -0.47 -0.40 0.00 -2.87 0.00 0.00 58.31 54.58 1mnk n LYS 42 Cb 0.19 -1.49 -0.08 0.00 -1.84 0.00 0.00 35.03 31.81 1mnk n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1mnk s PHE 43 N -2.46 3.49 0.30 2.13 0.08 -0.93 -4.93 117.98 115.67 1mnk s PHE 43 Ca 0.26 -2.15 -0.01 0.00 0.12 0.00 0.00 56.93 55.15 1mnk s PHE 43 Cb 0.20 -3.46 0.46 0.00 -0.57 0.00 0.00 43.02 39.64 1mnk s PHE 43 CO 0.49 -0.95 1.95 -0.44 -0.10 0.00 0.00 175.22 176.17 1mnk h ASP 44 N 7.95 0.89 0.19 1.36 3.32 -1.83 -0.19 116.42 128.11 1mnk h ASP 44 Ca -0.10 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1mnk h ASP 44 Cb 1.03 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.36 1mnk h ASP 44 CO 0.80 0.68 0.00 0.29 -1.72 0.00 0.00 179.24 179.29 1mnk n LYS 45 N -4.39 0.03 -0.11 3.56 5.02 -1.26 -2.64 118.16 118.37 1mnk n LYS 45 Ca 0.08 0.44 0.03 0.00 -2.02 0.00 0.00 58.31 56.84 1mnk n LYS 45 Cb 0.07 -1.59 0.05 0.00 -0.02 0.00 0.00 35.03 33.53 1mnk n LYS 45 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1mnk n PHE 46 N -1.66 0.00 -0.38 2.13 3.72 -0.13 -4.90 117.46 116.24 1mnk n PHE 46 Ca 0.01 -0.49 -0.10 0.00 -0.05 0.00 0.00 57.45 56.82 1mnk n PHE 46 Cb 0.07 -0.07 -0.09 0.00 -0.94 0.00 0.00 39.48 38.44 1mnk n PHE 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1mnk n LYS 47 N -0.63 -0.40 0.00 -1.08 4.76 -0.91 -2.77 118.16 117.13 1mnk n LYS 47 Ca 0.05 1.42 0.06 0.00 -2.87 0.00 0.00 58.31 56.98 1mnk n LYS 47 Cb 0.50 -2.09 0.37 0.00 -1.84 0.00 0.00 35.03 31.97 1mnk n LYS 47 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1mnk n HIS 48 N -5.07 0.00 -2.95 2.13 1.44 -1.26 -4.89 115.22 104.63 1mnk n HIS 48 Ca 0.02 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.32 1mnk n HIS 48 Cb 0.23 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.30 1mnk n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1mnk s LEU 49 N -1.69 4.31 -0.09 2.39 1.43 -1.12 -4.94 118.68 118.97 1mnk s LEU 49 Ca 0.19 1.29 0.15 0.00 -1.03 0.00 0.00 54.13 54.73 1mnk s LEU 49 Cb 0.09 -3.21 -0.22 0.00 0.03 0.00 0.00 46.19 42.87 1mnk s LEU 49 CO 0.14 -0.19 0.19 0.29 0.23 0.00 0.00 176.35 177.02 1mnk n LYS 50 N 4.01 1.05 -4.28 1.70 4.76 -1.26 -5.03 118.16 119.10 1mnk n LYS 50 Ca 0.01 -0.07 -0.16 0.00 -2.87 0.00 0.00 58.31 55.22 1mnk n LYS 50 Cb 0.51 -1.39 -0.10 0.00 -1.84 0.00 0.00 35.03 32.21 1mnk n LYS 50 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1mnk s SER 51 N -4.44 0.96 0.35 4.39 1.04 -1.26 -4.98 113.70 109.75 1mnk s SER 51 Ca -0.07 -1.43 0.03 0.00 0.48 0.00 0.00 55.95 54.96 1mnk s SER 51 Cb 0.07 0.29 0.65 0.00 0.10 0.00 0.00 66.02 67.13 1mnk s SER 51 CO 0.65 -0.81 1.97 -0.08 0.98 0.00 0.00 173.24 175.96 1mnk h GLU 52 N 2.41 0.70 -0.20 4.02 4.81 -1.99 -1.34 114.58 123.00 1mnk h GLU 52 Ca -0.36 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 58.71 1mnk h GLU 52 Cb 1.25 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1mnk h GLU 52 CO 0.56 0.53 -0.25 -0.44 -0.73 0.00 0.00 179.01 178.68 1mnk h ASP 53 N 0.70 0.37 0.33 1.04 3.32 -1.99 0.28 116.42 120.48 1mnk h ASP 53 Ca 0.18 -0.12 -0.19 0.00 0.02 0.00 0.00 57.03 56.93 1mnk h ASP 53 Cb 0.05 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1mnk h ASP 53 CO -0.03 0.62 -0.77 -0.33 -1.72 0.00 0.00 179.24 177.01 1mnk h GLU 54 N 0.33 0.35 -0.26 3.56 5.08 -1.65 -2.79 114.58 119.21 1mnk h GLU 54 Ca 0.05 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.05 1mnk h GLU 54 Cb 0.62 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1mnk h GLU 54 CO 0.04 0.96 -0.03 0.52 -1.00 0.00 0.00 179.01 179.51 1mnk h MET 55 N 0.23 0.48 0.00 2.33 2.86 -0.95 -1.46 114.93 118.42 1mnk h MET 55 Ca -0.04 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 1mnk h MET 55 Cb 1.36 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.98 1mnk h MET 55 CO 0.13 0.67 -0.09 0.87 1.06 0.00 0.00 176.91 179.55 1mnk h LYS 56 N 0.24 0.00 0.00 1.72 1.57 -0.98 -2.73 116.57 116.39 1mnk h LYS 56 Ca 0.07 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.63 1mnk h LYS 56 Cb 0.48 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 1mnk h LYS 56 CO 0.02 0.09 -1.28 0.00 -0.57 0.00 0.00 179.45 177.71 1mnk h ALA 57 N 1.91 0.61 -2.50 3.86 0.00 -1.29 -3.47 119.26 118.39 1mnk h ALA 57 Ca -0.00 -1.04 -0.53 0.00 0.00 0.00 0.00 54.91 53.34 1mnk h ALA 57 Cb 0.17 0.18 0.03 0.00 0.00 0.00 0.00 17.79 18.17 1mnk h ALA 57 CO 0.01 1.22 1.06 0.45 0.00 0.00 0.00 179.25 181.99 1mnk s SER 58 N -6.25 6.50 -0.02 0.00 0.15 -0.57 -4.91 113.70 108.59 1mnk s SER 58 Ca -0.01 2.65 -0.22 0.00 0.70 0.00 0.00 55.95 59.07 1mnk s SER 58 Cb 0.09 -2.57 -0.24 0.00 -1.71 0.00 0.00 66.02 61.59 1mnk s SER 58 CO 0.81 -0.95 1.05 -0.08 1.20 0.00 0.00 173.24 175.27 1mnk h GLU 59 N 8.37 0.29 -0.34 5.44 4.81 -1.91 -2.98 114.58 128.27 1mnk h GLU 59 Ca -0.44 -0.32 -0.03 0.00 -0.13 0.00 0.00 59.36 58.43 1mnk h GLU 59 Cb 1.21 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.66 1mnk h GLU 59 CO 0.94 1.02 0.08 -0.44 -0.73 0.00 0.00 179.01 179.88 1mnk h ASP 60 N -0.31 0.45 -0.32 1.04 3.32 -1.97 -2.40 116.42 116.23 1mnk h ASP 60 Ca -0.06 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 56.90 1mnk h ASP 60 Cb 1.18 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 1mnk h ASP 60 CO 0.09 0.47 0.06 0.25 -1.72 0.00 0.00 179.24 178.38 1mnk h LEU 61 N 0.49 0.50 -1.09 1.55 6.46 -1.90 -0.77 115.31 120.55 1mnk h LEU 61 Ca 0.12 -0.26 0.07 0.00 -0.12 0.00 0.00 57.88 57.69 1mnk h LEU 61 Cb 0.20 -0.13 -0.06 0.00 -0.73 0.00 0.00 40.66 39.93 1mnk h LEU 61 CO -0.00 0.63 0.61 0.50 -0.62 0.00 0.00 178.44 179.56 1mnk h LYS 62 N 0.35 1.05 -0.10 1.25 3.64 -1.28 0.16 116.57 121.64 1mnk h LYS 62 Ca 0.10 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.29 1mnk h LYS 62 Cb 0.34 -0.24 0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1mnk h LYS 62 CO 0.01 0.69 -0.43 0.87 -2.27 0.00 0.00 179.45 178.32 1mnk h LYS 63 N 1.08 0.47 -0.31 1.90 1.57 -1.19 -1.34 116.57 118.75 1mnk h LYS 63 Ca 0.41 -0.37 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 1mnk h LYS 63 Cb 0.20 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1mnk h LYS 63 CO -0.16 1.00 -0.16 0.28 -0.57 0.00 0.00 179.45 179.84 1mnk h VAL 64 N 0.05 1.25 -0.48 0.50 2.07 -0.66 -1.27 116.25 117.70 1mnk h VAL 64 Ca -0.03 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 1mnk h VAL 64 Cb 1.07 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1mnk h VAL 64 CO 0.09 0.37 0.23 1.23 0.02 0.00 0.00 177.57 179.52 1mnk h GLY 65 N 0.97 0.74 0.95 2.17 0.00 -0.53 -0.99 103.07 106.38 1mnk h GLY 65 Ca 0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1mnk h GLY 65 CO 0.04 0.34 0.19 -0.57 0.00 0.00 0.00 176.54 176.54 1mnk h ASN 66 N 0.63 0.51 -0.32 0.19 -1.24 -0.81 -2.45 115.58 112.09 1mnk h ASN 66 Ca 0.17 -0.13 -0.01 0.00 0.71 0.00 0.00 56.30 57.04 1mnk h ASN 66 Cb 0.11 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 1mnk h ASN 66 CO -0.02 0.49 0.15 0.74 -1.29 0.00 0.00 177.43 177.50 1mnk h THR 67 N 0.50 1.16 0.04 -3.57 2.02 -0.96 -0.96 112.91 111.14 1mnk h THR 67 Ca 0.14 -0.48 0.02 0.00 0.77 0.00 0.00 66.41 66.86 1mnk h THR 67 Cb 0.12 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 1mnk h THR 67 CO -0.02 0.17 -0.21 0.74 0.37 0.00 0.00 175.52 176.57 1mnk h THR 68 N 0.38 0.50 -0.04 3.16 2.02 -1.08 -2.13 112.91 115.72 1mnk h THR 68 Ca 0.11 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.14 1mnk h THR 68 Cb 0.14 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1mnk h THR 68 CO -0.01 0.00 -0.63 -0.07 0.37 0.00 0.00 175.52 175.18 1mnk h LEU 69 N -0.36 0.19 -0.14 2.58 3.38 -1.35 -2.24 115.31 117.36 1mnk h LEU 69 Ca 0.05 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1mnk h LEU 69 Cb 0.42 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1mnk h LEU 69 CO -0.17 0.77 0.03 0.74 0.09 0.00 0.00 178.44 179.90 1mnk h THR 70 N 0.12 1.20 -0.50 0.22 2.02 -1.13 -1.93 112.91 112.91 1mnk h THR 70 Ca -0.01 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.51 1mnk h THR 70 Cb 1.13 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.87 1mnk h THR 70 CO 0.09 0.19 0.20 0.00 0.37 0.00 0.00 175.52 176.37 1mnk h ALA 71 N 0.83 0.64 -0.14 6.16 0.00 -1.30 -2.50 119.26 122.95 1mnk h ALA 71 Ca 0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1mnk h ALA 71 Cb 0.26 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1mnk h ALA 71 CO 0.00 0.25 0.08 1.25 0.00 0.00 0.00 179.25 180.83 1mnk h LEU 72 N 0.66 0.17 -0.94 0.00 5.85 -1.31 -2.68 115.31 117.06 1mnk h LEU 72 Ca 0.17 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.89 1mnk h LEU 72 Cb 0.19 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.11 1mnk h LEU 72 CO -0.01 0.19 0.60 1.23 -0.34 0.00 0.00 178.44 180.10 1mnk h GLY 73 N 0.15 1.43 0.92 3.75 0.00 -1.24 -1.26 103.07 106.82 1mnk h GLY 73 Ca 0.05 -0.44 0.02 0.00 0.00 0.00 0.00 47.33 46.97 1mnk h GLY 73 CO -0.01 0.30 0.49 -1.33 0.00 0.00 0.00 176.54 175.99 1mnk h GLY 74 N 1.08 1.08 0.80 4.60 0.00 -1.27 -1.48 103.07 107.89 1mnk h GLY 74 Ca 0.41 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 47.29 1mnk h GLY 74 CO -0.18 0.34 -0.19 -2.22 0.00 0.00 0.00 176.54 174.29 1mnk h ILE 75 N 0.96 1.34 -0.78 2.60 2.04 -1.06 -3.27 117.51 119.34 1mnk h ILE 75 Ca 0.29 -1.36 -0.02 0.00 1.00 0.00 0.00 64.86 64.77 1mnk h ILE 75 Cb -0.03 1.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 1mnk h ILE 75 CO -0.09 0.41 0.41 -0.07 0.00 0.00 0.00 178.15 178.80 1mnk h LEU 76 N 0.10 0.98 -1.95 1.44 3.38 -1.03 -2.06 115.31 116.17 1mnk h LEU 76 Ca 0.03 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1mnk h LEU 76 Cb 0.73 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1mnk h LEU 76 CO 0.05 0.81 0.00 0.11 0.09 0.00 0.00 178.44 179.49 1mnk h LYS 77 N 1.10 0.00 0.00 1.13 1.57 -1.32 -1.13 116.57 117.91 1mnk h LYS 77 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1mnk h LYS 77 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1mnk h LYS 77 CO -0.04 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.47 1mnk n LYS 78 N -2.95 0.22 -3.78 3.15 4.76 -0.77 -4.96 118.16 113.82 1mnk n LYS 78 Ca -0.01 0.28 -0.24 0.00 -2.87 0.00 0.00 58.31 55.47 1mnk n LYS 78 Cb 0.19 -1.81 0.02 0.00 -1.84 0.00 0.00 35.03 31.59 1mnk n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1mnk n LYS 79 N -2.20 -3.75 0.00 1.97 5.02 -0.43 -1.92 118.16 116.85 1mnk n LYS 79 Ca 0.04 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.86 1mnk n LYS 79 Cb 0.35 -4.81 0.00 0.00 -0.02 0.00 0.00 35.03 30.55 1mnk n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mnk n GLY 80 N -1.73 2.87 2.70 0.72 0.00 -1.26 -4.95 105.19 103.54 1mnk n GLY 80 Ca -0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 1mnk n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1mnk n HIS 81 N -2.00 2.98 -1.11 1.61 8.25 -0.81 -4.71 115.22 119.44 1mnk n HIS 81 Ca 0.00 -2.81 0.04 0.00 -0.26 0.00 0.00 57.72 54.69 1mnk n HIS 81 Cb 0.00 -1.08 0.25 0.00 1.12 0.00 0.00 29.99 30.28 1mnk n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1mnk n HIS 82 N -0.05 1.09 -0.21 4.41 1.44 -1.26 -4.80 115.22 115.84 1mnk n HIS 82 Ca 0.44 -1.07 -0.01 0.00 -2.01 0.00 0.00 57.72 55.07 1mnk n HIS 82 Cb 0.28 -0.39 0.07 0.00 0.12 0.00 0.00 29.99 30.07 1mnk n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 1mnk h GLU 83 N 1.65 0.01 0.00 -1.40 4.57 -1.99 -0.67 114.58 116.76 1mnk h GLU 83 Ca 0.08 -0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.14 1mnk h GLU 83 Cb 1.57 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.14 1mnk h GLU 83 CO 0.30 0.01 -0.57 0.00 -1.18 0.00 0.00 179.01 177.57 1mnk h ALA 84 N 1.61 0.85 0.00 2.92 0.00 -2.01 -0.78 119.26 121.85 1mnk h ALA 84 Ca 0.30 -0.52 -0.22 0.00 0.00 0.00 0.00 54.91 54.47 1mnk h ALA 84 Cb 0.46 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1mnk h ALA 84 CO -0.62 0.71 -1.10 0.93 0.00 0.00 0.00 179.25 179.17 1mnk h GLU 85 N 0.00 0.00 -0.08 0.00 3.07 -1.83 -3.36 114.58 112.38 1mnk h GLU 85 Ca -0.01 -0.01 -0.20 0.00 -0.50 0.00 0.00 59.36 58.65 1mnk h GLU 85 Cb 1.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 1mnk h GLU 85 CO 0.07 0.93 -0.79 1.25 -1.40 0.00 0.00 179.01 179.08 1mnk h LEU 86 N 0.00 0.62 -0.18 1.33 5.85 -1.02 -3.36 115.31 118.54 1mnk h LEU 86 Ca -0.05 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.28 1mnk h LEU 86 Cb 1.81 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.62 1mnk h LEU 86 CO 0.12 1.19 0.00 0.74 -0.34 0.00 0.00 178.44 180.16 1mnk h THR 87 N 0.33 0.88 -0.89 1.05 2.02 -1.28 -2.33 112.91 112.68 1mnk h THR 87 Ca -0.05 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.14 1mnk h THR 87 Cb 1.39 0.81 -0.05 0.00 -1.74 0.00 0.00 68.15 68.56 1mnk h THR 87 CO 0.14 0.01 0.59 -0.65 0.37 0.00 0.00 175.52 175.98 1mnk h PRO 88 N 0.06 1.12 -0.50 6.66 0.11 -1.78 -0.17 132.00 137.51 1mnk h PRO 88 Ca 0.08 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 1mnk h PRO 88 Cb 0.10 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 30.93 1mnk h PRO 88 CO -0.14 0.74 0.31 1.25 -0.21 0.00 0.00 178.00 179.95 1mnk h LEU 89 N 1.15 0.59 -0.25 2.35 5.85 -1.61 -1.54 115.31 121.85 1mnk h LEU 89 Ca 0.35 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.96 1mnk h LEU 89 Cb -0.03 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1mnk h LEU 89 CO -0.10 0.46 -0.08 0.00 -0.34 0.00 0.00 178.44 178.39 1mnk h ALA 90 N 1.16 0.34 0.42 1.25 0.00 -1.09 0.80 119.26 122.13 1mnk h ALA 90 Ca 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1mnk h ALA 90 Cb -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1mnk h ALA 90 CO -0.04 0.16 -0.41 1.96 0.00 0.00 0.00 179.25 180.93 1mnk h GLN 91 N 0.23 -0.80 -0.29 0.00 4.20 -0.96 -0.01 115.11 117.48 1mnk h GLN 91 Ca 0.06 0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.84 1mnk h GLN 91 Cb 0.56 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 1mnk h GLN 91 CO 0.03 -0.53 0.16 0.66 -0.67 0.00 0.00 178.83 178.47 1mnk h SER 92 N -0.83 0.25 0.62 1.46 4.64 -1.27 -1.70 113.55 116.73 1mnk h SER 92 Ca -0.05 0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.15 1mnk h SER 92 Cb 0.72 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.75 1mnk h SER 92 CO -0.05 0.18 -0.57 0.45 -0.87 0.00 0.00 176.83 175.97 1mnk h HIS 93 N 0.32 0.00 0.13 4.77 3.86 -0.80 -0.47 115.15 122.97 1mnk h HIS 93 Ca 0.12 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1mnk h HIS 93 Cb 0.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.49 1mnk h HIS 93 CO -0.09 0.57 -0.06 0.00 0.86 0.00 0.00 177.93 179.21 1mnk h ALA 94 N 1.43 -0.18 0.05 2.45 0.00 -0.91 0.97 119.26 123.07 1mnk h ALA 94 Ca -0.01 -0.21 -0.30 0.00 0.00 0.00 0.00 54.91 54.39 1mnk h ALA 94 Cb 1.04 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1mnk h ALA 94 CO 0.07 -0.22 -1.62 1.79 0.00 0.00 0.00 179.25 179.27 1mnk h THR 95 N -0.94 1.00 0.00 0.00 1.35 -1.39 -3.34 112.91 109.59 1mnk h THR 95 Ca -0.02 -2.76 -0.32 0.00 -0.55 0.00 0.00 66.41 62.77 1mnk h THR 95 Cb 0.48 2.58 -0.05 0.00 -1.73 0.00 0.00 68.15 69.43 1mnk h THR 95 CO 0.03 0.70 -2.05 1.17 -0.25 0.00 0.00 175.52 175.12 1mnk n LYS 96 N -3.27 0.41 0.04 4.72 4.81 -0.57 -4.63 118.16 119.66 1mnk n LYS 96 Ca -0.17 0.18 0.13 0.00 -0.87 0.00 0.00 58.31 57.58 1mnk n LYS 96 Cb 1.04 -1.19 0.35 0.00 0.02 0.00 0.00 35.03 35.25 1mnk n LYS 96 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1mnk n HIS 97 N -3.87 0.32 -3.64 5.64 8.25 -0.29 -4.95 115.22 116.67 1mnk n HIS 97 Ca -0.38 0.09 -0.29 0.00 -0.26 0.00 0.00 57.72 56.89 1mnk n HIS 97 Cb 0.76 -0.55 0.04 0.00 1.12 0.00 0.00 29.99 31.36 1mnk n HIS 97 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1mnk n LYS 98 N -1.80 -1.23 -3.52 -0.41 4.76 -0.53 -4.95 118.16 110.48 1mnk n LYS 98 Ca 0.05 0.56 -0.37 0.00 -2.87 0.00 0.00 58.31 55.68 1mnk n LYS 98 Cb 0.38 -4.07 -0.08 0.00 -1.84 0.00 0.00 35.03 29.41 1mnk n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1mnk s ILE 99 N -3.39 5.27 0.47 -0.18 -1.09 0.33 -4.99 121.20 117.63 1mnk s ILE 99 Ca 0.40 0.46 -0.22 0.00 -2.23 0.00 0.00 60.65 59.06 1mnk s ILE 99 Cb -0.14 -3.62 -0.08 0.00 -1.58 0.00 0.00 42.46 37.04 1mnk s ILE 99 CO 0.86 0.30 1.10 -2.16 -1.23 0.00 0.00 174.94 173.81 1mnk s PRO 100 N 1.18 3.78 0.36 2.79 0.04 -1.26 -4.69 135.00 137.21 1mnk s PRO 100 Ca 0.14 1.59 0.15 0.00 0.04 0.00 0.00 61.00 62.92 1mnk s PRO 100 Cb -0.14 -2.29 1.03 0.00 0.04 0.00 0.00 34.50 33.14 1mnk s PRO 100 CO 0.06 -0.49 1.73 0.28 0.04 0.00 0.00 177.00 178.62 1mnk h VAL 101 N 1.74 0.48 -0.65 -0.36 2.07 -1.98 0.11 116.25 117.66 1mnk h VAL 101 Ca -0.49 -0.15 0.09 0.00 0.82 0.00 0.00 66.70 66.97 1mnk h VAL 101 Cb 1.24 -0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1mnk h VAL 101 CO 0.60 0.08 0.43 0.11 0.02 0.00 0.00 177.57 178.81 1mnk h LYS 102 N 0.44 0.48 -0.16 1.57 1.57 -2.00 -0.18 116.57 118.30 1mnk h LYS 102 Ca 0.65 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 59.33 1mnk h LYS 102 Cb 1.48 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.67 1mnk h LYS 102 CO -0.41 0.32 -0.21 1.88 -0.57 0.00 0.00 179.45 180.46 1mnk h TYR 103 N 0.50 0.30 -0.15 -1.35 -1.99 -1.14 -0.73 116.97 112.43 1mnk h TYR 103 Ca 0.30 -0.05 -0.04 0.00 2.00 0.00 0.00 58.73 60.94 1mnk h TYR 103 Cb 0.50 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.14 1mnk h TYR 103 CO -0.00 0.48 -0.09 -0.07 -0.00 0.00 0.00 178.16 178.48 1mnk h LEU 104 N 0.26 0.20 -0.42 3.88 3.38 -1.07 -1.21 115.31 120.34 1mnk h LEU 104 Ca 0.05 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 1mnk h LEU 104 Cb 0.52 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1mnk h LEU 104 CO 0.03 0.32 -0.66 -0.33 0.09 0.00 0.00 178.44 177.90 1mnk h GLU 105 N 0.21 0.52 -0.64 1.13 5.08 -1.03 -2.39 114.58 117.46 1mnk h GLU 105 Ca 0.05 -0.38 -0.07 0.00 -1.00 0.00 0.00 59.36 57.96 1mnk h GLU 105 Cb 0.29 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1mnk h GLU 105 CO 0.02 1.00 0.14 0.74 -1.00 0.00 0.00 179.01 179.90 1mnk h PHE 106 N 0.37 1.08 -0.30 4.33 0.04 -0.06 -2.56 116.94 119.85 1mnk h PHE 106 Ca -0.02 -0.13 -0.13 0.00 2.80 0.00 0.00 57.97 60.50 1mnk h PHE 106 Cb 1.23 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 39.06 1mnk h PHE 106 CO 0.05 0.89 -0.35 0.97 -0.60 0.00 0.00 178.31 179.27 1mnk h ILE 107 N 0.97 1.29 -0.81 -0.55 2.10 -1.38 -2.32 117.51 116.82 1mnk h ILE 107 Ca 0.20 -1.50 0.02 0.00 1.08 0.00 0.00 64.86 64.66 1mnk h ILE 107 Cb 0.37 1.44 -0.04 0.00 -1.09 0.00 0.00 36.82 37.50 1mnk h ILE 107 CO 0.00 0.48 0.53 0.28 -1.08 0.00 0.00 178.15 178.37 1mnk h SER 108 N 0.56 0.89 0.21 2.19 0.02 -1.20 -0.97 113.55 115.25 1mnk h SER 108 Ca 0.06 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.84 1mnk h SER 108 Cb 0.87 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 1mnk h SER 108 CO 0.07 0.63 -0.59 1.05 -1.14 0.00 0.00 176.83 176.86 1mnk h GLU 109 N 1.05 0.39 -0.78 3.45 4.11 -1.27 -1.37 114.58 120.17 1mnk h GLU 109 Ca 0.31 -0.26 -0.05 0.00 0.07 0.00 0.00 59.36 59.43 1mnk h GLU 109 Cb -0.06 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1mnk h GLU 109 CO -0.09 0.86 0.30 0.00 0.07 0.00 0.00 179.01 180.15 1mnk h ALA 110 N 1.08 1.05 0.24 1.06 0.00 -0.92 -1.14 119.26 120.64 1mnk h ALA 110 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1mnk h ALA 110 Cb 1.11 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1mnk h ALA 110 CO 0.10 0.66 -0.12 0.82 0.00 0.00 0.00 179.25 180.71 1mnk h ILE 111 N 1.14 0.74 -0.52 0.00 2.04 -1.00 0.44 117.51 120.36 1mnk h ILE 111 Ca 0.26 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.17 1mnk h ILE 111 Cb 0.23 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 1mnk h ILE 111 CO -0.02 0.00 0.24 0.40 0.00 0.00 0.00 178.15 178.77 1mnk h ILE 112 N -0.34 0.91 -0.78 -0.67 1.08 -1.05 -0.96 117.51 115.70 1mnk h ILE 112 Ca -0.03 -0.16 -0.01 0.00 -0.39 0.00 0.00 64.86 64.27 1mnk h ILE 112 Cb 0.27 0.41 -0.04 0.00 -3.07 0.00 0.00 36.82 34.39 1mnk h ILE 112 CO 0.05 0.08 0.46 1.56 -0.69 0.00 0.00 178.15 179.61 1mnk h GLN 113 N 0.46 1.07 -0.47 2.37 4.20 -0.93 0.17 115.11 121.99 1mnk h GLN 113 Ca 0.24 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.76 1mnk h GLN 113 Cb 0.18 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1mnk h GLN 113 CO -0.19 0.77 -0.00 0.28 -0.67 0.00 0.00 178.83 179.02 1mnk h VAL 114 N 1.08 1.26 -0.84 -0.54 2.07 0.29 -1.30 116.25 118.26 1mnk h VAL 114 Ca 0.28 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1mnk h VAL 114 Cb -0.01 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 1mnk h VAL 114 CO -0.05 0.37 0.49 -0.07 0.02 0.00 0.00 177.57 178.33 1mnk h LEU 115 N 0.69 1.02 -0.17 2.57 3.38 -0.84 -0.97 115.31 120.98 1mnk h LEU 115 Ca 0.13 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1mnk h LEU 115 Cb 0.51 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1mnk h LEU 115 CO 0.03 0.81 0.07 -0.61 0.09 0.00 0.00 178.44 178.82 1mnk h GLN 116 N 1.16 0.25 -0.70 1.13 5.75 -0.89 0.17 115.11 121.98 1mnk h GLN 116 Ca 0.30 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.68 1mnk h GLN 116 Cb -0.01 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 1mnk h GLN 116 CO -0.05 0.32 0.16 0.77 -2.65 0.00 0.00 178.83 177.39 1mnk h SER 117 N 0.13 1.06 0.50 -0.69 0.02 -1.03 -3.22 113.55 110.32 1mnk h SER 117 Ca 0.06 -0.23 -0.29 0.00 -0.84 0.00 0.00 61.79 60.49 1mnk h SER 117 Cb 0.16 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 1mnk h SER 117 CO -0.01 1.02 -1.59 0.11 -1.14 0.00 0.00 176.83 175.22 1mnk h LYS 118 N 1.06 0.11 -1.63 3.45 1.57 -1.20 -3.42 116.57 116.52 1mnk h LYS 118 Ca 0.22 -0.19 -0.53 0.00 -1.87 0.00 0.00 60.65 58.28 1mnk h LYS 118 Cb 0.38 0.07 -0.41 0.00 0.08 0.00 0.00 32.23 32.34 1mnk h LYS 118 CO 0.00 0.85 -0.86 0.72 -0.57 0.00 0.00 179.45 179.60 1mnk n HIS 119 N -3.27 2.77 -0.28 -1.35 8.25 0.04 -4.93 115.22 116.45 1mnk n HIS 119 Ca -0.16 -3.31 -0.00 0.00 -0.26 0.00 0.00 57.72 53.98 1mnk n HIS 119 Cb 1.03 -0.27 0.12 0.00 1.12 0.00 0.00 29.99 32.00 1mnk n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1mnk h PRO 120 N 2.80 0.82 -0.14 -0.41 0.13 -1.70 0.14 132.00 133.65 1mnk h PRO 120 Ca 0.16 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 65.19 1mnk h PRO 120 Cb 0.89 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 1mnk h PRO 120 CO 0.74 0.54 -0.15 0.78 -0.23 0.00 0.00 178.00 179.68 1mnk h GLY 121 N 0.85 0.24 -1.50 1.56 0.00 -1.91 -2.79 103.07 99.51 1mnk h GLY 121 Ca 0.34 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1mnk h GLY 121 CO -0.18 0.14 -0.03 1.22 0.00 0.00 0.00 176.54 177.69 1mnk n ASP 122 N -4.26 2.57 -3.29 0.19 8.00 -0.44 -4.50 116.55 114.82 1mnk n ASP 122 Ca -0.01 -1.84 -0.29 0.00 0.71 0.00 0.00 54.79 53.37 1mnk n ASP 122 Cb 0.28 0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.36 1mnk n ASP 122 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1mnk n PHE 123 N 0.96 3.67 -1.05 1.24 7.35 0.37 -4.88 117.46 125.13 1mnk n PHE 123 Ca 0.15 -3.89 -0.12 0.00 -0.76 0.00 0.00 57.45 52.83 1mnk n PHE 123 Cb 0.53 -0.62 0.09 0.00 0.35 0.00 0.00 39.48 39.83 1mnk n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1mnk n GLY 124 N 0.41 -1.92 0.22 7.13 0.00 -1.26 -4.61 105.19 105.16 1mnk n GLY 124 Ca 0.31 -1.58 -0.00 0.00 0.00 0.00 0.00 46.02 44.75 1mnk n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mnk h ALA 125 N -2.10 0.60 0.14 4.61 0.00 -1.96 0.52 119.26 121.06 1mnk h ALA 125 Ca -0.17 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1mnk h ALA 125 Cb 0.49 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1mnk h ALA 125 CO 0.11 -0.36 -0.07 -0.44 0.00 0.00 0.00 179.25 178.50 1mnk h ASP 126 N 0.18 -0.16 -0.63 0.00 3.32 -1.99 -2.08 116.42 115.06 1mnk h ASP 126 Ca 0.29 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.23 1mnk h ASP 126 Cb 0.45 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 1mnk h ASP 126 CO -0.43 -0.04 0.20 0.00 -1.72 0.00 0.00 179.24 177.25 1mnk h ALA 127 N 0.59 1.12 -0.25 3.45 0.00 -1.84 -0.08 119.26 122.26 1mnk h ALA 127 Ca -0.02 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1mnk h ALA 127 Cb 0.21 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1mnk h ALA 127 CO 0.03 0.60 0.08 1.96 0.00 0.00 0.00 179.25 181.93 1mnk h GLN 128 N 0.97 0.19 -0.45 0.00 4.20 -0.74 -0.67 115.11 118.61 1mnk h GLN 128 Ca 0.21 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.83 1mnk h GLN 128 Cb 0.28 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1mnk h GLN 128 CO -0.01 0.12 -0.05 0.78 -0.67 0.00 0.00 178.83 179.00 1mnk h GLY 129 N 0.19 0.89 0.94 3.46 0.00 -1.00 -0.60 103.07 106.96 1mnk h GLY 129 Ca 0.11 -0.70 -0.02 0.00 0.00 0.00 0.00 47.33 46.72 1mnk h GLY 129 CO -0.11 0.64 0.15 0.00 0.00 0.00 0.00 176.54 177.22 1mnk h ALA 130 N 0.89 0.49 -0.83 3.60 0.00 -0.80 -2.04 119.26 120.57 1mnk h ALA 130 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1mnk h ALA 130 Cb 0.57 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1mnk h ALA 130 CO 0.03 0.09 0.53 1.98 0.00 0.00 0.00 179.25 181.88 1mnk h MET 131 N 0.47 1.10 -0.49 0.00 -1.53 -1.03 -1.97 114.93 111.47 1mnk h MET 131 Ca 0.13 -0.08 -0.12 0.00 -3.44 0.00 0.00 59.70 56.19 1mnk h MET 131 Cb 0.18 -0.24 -0.02 0.00 -0.55 0.00 0.00 31.60 30.98 1mnk h MET 131 CO -0.01 0.75 -0.17 1.03 0.14 0.00 0.00 176.91 178.64 1mnk h SER 132 N 1.12 0.98 -0.36 1.39 0.87 -1.00 0.16 113.55 116.72 1mnk h SER 132 Ca 0.30 -0.35 -0.04 0.00 -1.23 0.00 0.00 61.79 60.47 1mnk h SER 132 Cb -0.10 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.57 1mnk h SER 132 CO -0.06 1.13 0.10 0.11 -0.53 0.00 0.00 176.83 177.58 1mnk h LYS 133 N 0.85 0.65 -0.39 2.24 1.57 -1.11 -2.18 116.57 118.21 1mnk h LYS 133 Ca 0.12 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1mnk h LYS 133 Cb 0.73 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1mnk h LYS 133 CO 0.06 0.60 -0.11 0.00 -0.57 0.00 0.00 179.45 179.43 1mnk h ALA 134 N 1.48 0.54 -0.24 3.86 0.00 -0.87 -1.23 119.26 122.79 1mnk h ALA 134 Ca 0.14 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1mnk h ALA 134 Cb 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1mnk h ALA 134 CO -0.00 0.43 -0.23 -0.07 0.00 0.00 0.00 179.25 179.38 1mnk h LEU 135 N 0.58 0.43 -0.46 0.00 3.38 -0.81 -1.72 115.31 116.71 1mnk h LEU 135 Ca 0.10 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1mnk h LEU 135 Cb 0.64 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1mnk h LEU 135 CO 0.04 0.67 0.00 -0.08 0.09 0.00 0.00 178.44 179.16 1mnk h GLU 136 N 0.39 0.81 -0.32 1.13 4.81 -1.22 0.93 114.58 121.12 1mnk h GLU 136 Ca 0.06 -0.26 0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1mnk h GLU 136 Cb 0.62 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 1mnk h GLU 136 CO 0.04 0.86 0.15 1.25 -0.73 0.00 0.00 179.01 180.58 1mnk h LEU 137 N 0.66 0.21 -0.10 1.64 5.85 -0.96 -0.63 115.31 121.99 1mnk h LEU 137 Ca 0.13 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1mnk h LEU 137 Cb 0.49 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1mnk h LEU 137 CO 0.02 0.16 -0.10 0.15 -0.34 0.00 0.00 178.44 178.34 1mnk h PHE 138 N 0.32 -0.24 -0.86 1.25 3.57 -0.90 0.66 116.94 120.74 1mnk h PHE 138 Ca 0.13 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 1mnk h PHE 138 Cb 0.06 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 1mnk h PHE 138 CO -0.10 -0.15 0.52 0.00 -2.23 0.00 0.00 178.31 176.35 1mnk h ARG 139 N -0.12 1.16 -0.45 1.11 3.08 -0.25 -1.08 114.38 117.84 1mnk h ARG 139 Ca 0.07 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1mnk h ARG 139 Cb 0.22 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1mnk h ARG 139 CO -0.17 0.81 0.11 -0.91 -1.07 0.00 0.00 179.97 178.74 1mnk h ASN 140 N 1.18 0.68 -0.43 7.04 -0.26 -0.83 0.95 115.58 123.91 1mnk h ASN 140 Ca 0.31 -0.23 -0.09 0.00 -0.56 0.00 0.00 56.30 55.74 1mnk h ASN 140 Cb -0.06 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.00 1mnk h ASN 140 CO -0.06 0.73 -0.03 0.44 -1.06 0.00 0.00 177.43 177.44 1mnk h ASP 141 N 0.59 0.84 0.30 5.81 3.32 -0.43 -2.24 116.42 124.61 1mnk h ASP 141 Ca 0.14 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1mnk h ASP 141 Cb 0.31 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1mnk h ASP 141 CO 0.00 0.92 -0.15 0.24 -1.72 0.00 0.00 179.24 178.54 1mnk h MET 142 N 0.79 -0.39 -0.98 3.56 2.86 -0.76 -1.40 114.93 118.61 1mnk h MET 142 Ca 0.14 0.03 0.18 0.00 -2.06 0.00 0.00 59.70 57.99 1mnk h MET 142 Cb 0.52 0.09 -0.09 0.00 0.06 0.00 0.00 31.60 32.18 1mnk h MET 142 CO 0.03 -0.23 0.61 0.00 1.06 0.00 0.00 176.91 178.38 1mnk h ALA 143 N 0.24 1.80 -0.36 6.32 0.00 -0.72 -0.42 119.26 126.12 1mnk h ALA 143 Ca -0.04 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1mnk h ALA 143 Cb 0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1mnk h ALA 143 CO 0.07 -0.13 -0.11 0.00 0.00 0.00 0.00 179.25 179.08 1mnk h ALA 144 N 1.62 0.50 -0.55 0.00 0.00 -1.04 -2.26 119.26 117.53 1mnk h ALA 144 Ca 0.54 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1mnk h ALA 144 Cb 0.91 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1mnk h ALA 144 CO -0.31 0.37 0.10 0.87 0.00 0.00 0.00 179.25 180.28 1mnk h LYS 145 N 0.51 0.87 0.11 0.00 1.79 -0.09 -2.22 116.57 117.53 1mnk h LYS 145 Ca 0.09 -0.20 0.01 0.00 -2.18 0.00 0.00 60.65 58.37 1mnk h LYS 145 Cb 0.63 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 1mnk h LYS 145 CO 0.04 0.81 -0.13 1.88 -1.08 0.00 0.00 179.45 180.97 1mnk h TYR 146 N 0.83 -0.34 -0.93 -1.35 -1.99 -0.91 -0.56 116.97 111.72 1mnk h TYR 146 Ca 0.17 0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.94 1mnk h TYR 146 Cb 0.36 0.13 -0.05 0.00 2.00 0.00 0.00 36.73 39.17 1mnk h TYR 146 CO 0.02 -0.20 0.61 0.87 -0.00 0.00 0.00 178.16 179.46 1mnk h LYS 147 N -0.28 1.14 -0.42 4.88 1.57 -1.25 -0.54 116.57 121.68 1mnk h LYS 147 Ca 0.01 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 1mnk h LYS 147 Cb 0.28 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1mnk h LYS 147 CO -0.05 0.75 -0.14 1.49 -0.57 0.00 0.00 179.45 180.93 1mnk h GLU 148 N 1.17 0.83 0.00 3.15 4.81 -1.21 -2.75 114.58 120.58 1mnk h GLU 148 Ca 0.37 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1mnk h GLU 148 Cb 0.01 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1mnk h GLU 148 CO -0.11 0.97 0.00 1.28 -0.73 0.00 0.00 179.01 180.41 1mnk n LEU 149 N -4.27 0.00 0.00 1.64 4.77 -0.23 -4.84 117.00 114.06 1mnk n LEU 149 Ca -0.01 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1mnk n LEU 149 Cb 0.39 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1mnk n LEU 149 CO 0.44 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1mnk n GLY 150 N 0.04 0.66 0.39 -0.72 0.00 -1.03 -5.08 105.19 99.45 1mnk n GLY 150 Ca 0.10 -0.71 0.05 0.00 0.00 0.00 0.00 46.02 45.46 1mnk n GLY 150 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01